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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6R)-N-[(5-cyclopropyl-1,3,4-oxa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.89 2.48 -58.84 2 7 1 86 289.363 5 ↓
Hi High (pH 8-9.5) -0.89 1.3 -14.6 1 7 0 82 288.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6S)-N-[(5-cyclopropyl-1,3,4-oxa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.89 2.48 -58.01 2 7 1 86 289.363 5 ↓
Hi High (pH 8-9.5) -0.89 1.33 -13.26 1 7 0 82 288.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1 (6R)-N-[(5-cyclopropyl-1,3,4-oxa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.40 2.93 -58.37 2 7 1 86 303.39 5 ↓
Hi High (pH 8-9.5) -0.40 1.76 -14.43 1 7 0 82 302.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1 (6S)-N-[(5-cyclopropyl-1,3,4-oxa…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.40 2.93 -57.65 2 7 1 86 303.39 5 ↓
Hi High (pH 8-9.5) -0.40 1.78 -13.08 1 7 0 82 302.382 5 ↓

Parameters Provided:

ring.id = 404823
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 404823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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